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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Corticotropin releasing factor receptor 1' and Ligand = 'BDBM50139912'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139912
PNG
(Ac-(Glu-Ala-Phe-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C74H124N18O17/c1-12-43(7)61(63(77)99)90-73(109)62(44(8)13-2)91-69(105)52(31-34-60(97)98)83-65(101)48(42(5)6)26-17-18-30-57(94)53(38-41(3)4)87-67(103)49(27-19-21-35-75)84-66(102)51(29-23-37-81-74(78)79)86-71(107)55(40-58(76)95)89-68(104)50-28-20-22-36-80-59(96)33-32-56(92(11)46(10)93)72(108)82-45(9)64(100)88-54(70(106)85-50)39-47-24-15-14-16-25-47/h14-16,24-25,41-45,48-56,61-62H,12-13,17-23,26-40,75H2,1-11H3,(H2,76,95)(H2,77,99)(H,80,96)(H,82,108)(H,83,101)(H,84,102)(H,85,106)(H,86,107)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,105)(H,97,98)(H4,78,79,81)/t43-,44-,45-,48?,49-,50-,51-,52-,53-,54-,55-,56+,61-,62-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair